Difference between revisions of "Load"
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| Line 32: | Line 32: | ||
[[:Category:Commands save |save]] | [[:Category:Commands save |save]] | ||
| − | ==User Comments/Examples=== | + | ===User Comments/Examples=== |
| + | *Load xyz.pdb using the PyMOL API: | ||
<source lang="python"> | <source lang="python"> | ||
cmd.load("xyz.pdb") | cmd.load("xyz.pdb") | ||
</source> | </source> | ||
| + | * Loading multiple PDBs into one object with many states: | ||
| + | <source lang="python"> | ||
| + | load trj0001.pdb, mov | ||
| + | load trj0002.pdb, mov | ||
| + | load trj0003.pdb, mov | ||
| + | etc. | ||
| + | </source> | ||
| + | or, if you have too many states to do that by hand, | ||
| + | <source lang="python"> | ||
| + | for idx in range(1,1001):cmd.load("trj%04d.pdb"%idx,"mov") | ||
| + | </source> | ||
| + | or, you can use "glob" from Python, | ||
| + | <source lang="python"> | ||
| + | from glob import glob | ||
| + | lst = glob("trj*.pdb") | ||
| + | lst.sort() | ||
| + | for fil in lst: cmd.load(fil,"mov") | ||
| + | </source> | ||
[[Category:Commands|load]] | [[Category:Commands|load]] | ||
Revision as of 16:35, 25 April 2008
DESCRIPTION
load reads several file formats. The file extension is used to determine the format. PDB files must end in ".pdb", MOL files must end in ".mol", Macromodel files must end in ".mmod", XPLOR maps must end in ".xplor", CCP4 maps must end in ".ccp4", Raster3D input (Molscript output) must end in ".r3d", PyMOL session files must end in ".pse", and pickled ChemPy models with a ".pkl" can also be directly read.
If an object is specified, then the file is loaded into that object. Otherwise, an object is created with the same name as the file prefix.
USAGE
load filename [,object [,state [,format [,finish [,discrete ]]]]]
PYMOL API
cmd.load( filename [,object [,state [,format [,finish [,discrete ]]]]] )
NOTES
You can override the file extension by giving a format string:
'pdb' : PDB, 'mmod' : Macromodel, 'xyz' : Tinker, 'cc1' : ChemDraw3D 'mol' : MDL MOL-file, 'sdf' : MDL SD-file 'xplor' : X-PLOR/CNS map, 'ccp4' : CCP4 map, 'callback' : PyMOL Callback object (PyOpenGL) 'cgo' : compressed graphics object (list of floats) 'trj' : AMBER trajectory (use load_traj command for more control) 'top' : AMBER topology file 'rst' : AMBER restart file 'cex' : Metaphorics CEX format 'pse' : PyMOL Session file 'pqr' : PQR (a modified PDB file with charges and radii) 'mol2' : MOL2
SEE ALSO
User Comments/Examples
- Load xyz.pdb using the PyMOL API:
cmd.load("xyz.pdb")
- Loading multiple PDBs into one object with many states:
load trj0001.pdb, mov
load trj0002.pdb, mov
load trj0003.pdb, mov
etc.
or, if you have too many states to do that by hand,
for idx in range(1,1001):cmd.load("trj%04d.pdb"%idx,"mov")
or, you can use "glob" from Python,
from glob import glob
lst = glob("trj*.pdb")
lst.sort()
for fil in lst: cmd.load(fil,"mov")